methyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate
methyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8020-1827 |
| Compound Name: | methyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C11 H9 N3 O4 |
| Smiles: | COC(c1cc(c2cccc(c2)[N+]([O-])=O)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1679 |
| logD: | 2.1675 |
| logSw: | -2.7308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.284 |
| InChI Key: | RFOQKPPKEWYELF-UHFFFAOYSA-N |